Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC1CCCO1
InChIKey
InChIKey=UNYYQVKECAEDBS-UHFFFAOYSA-N
Formula
C17H21N3O2S
Mass
331.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
p-Toluamides Benzoyl derivatives Oxolanes Thioureas Oxacyclic compounds Nitriles Dialkyl ethers Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Toluene - Oxolane - Thiourea - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available